CID 15088059

28-hydroxy-7-octacosanone

Structural Information

Molecular Formula
C28H56O2
SMILES
CCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C28H56O2/c1-2-3-4-22-25-28(30)26-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-27-29/h29H,2-27H2,1H3
InChIKey
PTZHJVIKISISFU-UHFFFAOYSA-N
Compound name
28-hydroxyoctacosan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.42804 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.435316 222.9
[M+Na]+ 447.417258 220.6
[M-H]- 423.420764 217.5
[M+NH4]+ 442.461863 221.1
[M+K]+ 463.391198 214.5
[M+H-H2O]+ 407.425300 214.4
[M+HCOO]- 469.426241 233.1
[M+CH3COO]- 483.441891 233.9
[M+Na-2H]- 445.402706 216.6
[M]+ 424.42749142 232.2
[M]- 424.42858858 232.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.